UCSF

ZINC23283490

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 7.37 -3.04 0 2 0 12 247.382 4
Mid Mid (pH 6-8) 3.57 9.38 -38.32 1 2 1 14 248.39 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )